2-(2-butoxycarbonylhydrazinyl)acetic acid

C7H14N2O4 — CID 154371551

IUPAC2-(2-butoxycarbonylhydrazinyl)acetic acid
SMILESCCCCOC(=O)NNCC(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-13-7(12)9-8-5-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyPXMRHNQXSUTHCI-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.10
Rot. Bonds6

About 2-(2-butoxycarbonylhydrazinyl)acetic acid

2-(2-butoxycarbonylhydrazinyl)acetic acid (PubChem CID 154371551) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(2-butoxycarbonylhydrazinyl)acetic acid.

Molecular Properties

Compound Name2-(2-butoxycarbonylhydrazinyl)acetic acid
PubChem CID154371551
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-(2-butoxycarbonylhydrazinyl)acetic acid
SMILESCCCCOC(=O)NNCC(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-13-7(12)9-8-5-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyPXMRHNQXSUTHCI-UHFFFAOYSA-N
XLogP0.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
butoxycarbonylcarbamic acid
CID 22136826
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
3-butoxy-3-oxopropanoic acid
CID 21201188
butyl N-anilinocarbamate
CID 57279128
butyl hydrogen carbonate
CID 157271096
butyl N-chlorosulfonylcarbamate
CID 55279204
2-(2-butylhydrazinyl)acetic acid
CID 90278440
butyl N-[2-(2-acetylhydrazinyl)-2-oxoethyl]carbamate
CID 87088052
2-[(4-butoxy-2-methyl-4-oxobutan-2-yl)amino]acetic acid
CID 140557146
2,2-bis(butoxycarbonylamino)butanedioic acid
CID 21313448
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxycarbonylhydrazinyl)acetic acid?
The IUPAC name of 2-(2-butoxycarbonylhydrazinyl)acetic acid (CID 154371551) is 2-(2-butoxycarbonylhydrazinyl)acetic acid.
What is the SMILES notation for 2-(2-butoxycarbonylhydrazinyl)acetic acid?
The canonical SMILES for 2-(2-butoxycarbonylhydrazinyl)acetic acid is CCCCOC(=O)NNCC(=O)O.
What is the InChIKey of 2-(2-butoxycarbonylhydrazinyl)acetic acid?
The InChIKey is PXMRHNQXSUTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-3-4-13-7(12)9-8-5-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-(2-butoxycarbonylhydrazinyl)acetic acid?
2-(2-butoxycarbonylhydrazinyl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxycarbonylhydrazinyl)acetic acid is sourced from PubChem (CID 154371551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).